CID 112623

Dtxsid6069745

Structural Information

Molecular Formula
C26H30N4O2
SMILES
CCOC(=O)N1CCN(CC1)C2=C(CCC2=CNC3=CC=CC=C3)C=NC4=CC=CC=C4
InChI
InChI=1S/C26H30N4O2/c1-2-32-26(31)30-17-15-29(16-18-30)25-21(19-27-23-9-5-3-6-10-23)13-14-22(25)20-28-24-11-7-4-8-12-24/h3-12,19-20,27H,2,13-18H2,1H3
InChIKey
LJJCVHFNCVEXHX-UHFFFAOYSA-N
Compound name
ethyl 4-[5-(anilinomethylidene)-2-(phenyliminomethyl)cyclopenten-1-yl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

430.23688 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.24416 206.1
[M+Na]+ 453.22610 207.6
[M-H]- 429.22960 215.7
[M+NH4]+ 448.27070 213.6
[M+K]+ 469.20004 201.2
[M+H-H2O]+ 413.23414 193.2
[M+HCOO]- 475.23508 224.8
[M+CH3COO]- 489.25073 232.1
[M+Na-2H]- 451.21155 204.3
[M]+ 430.23633 201.4
[M]- 430.23743 201.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe